Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator ExsA' and Ligand = 'BDBM50319085'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
HTH-type transcriptional regulator ExsA (Pseudomonas aeruginosa)	BDBM50319085 ((E)-3-(4-acetylphenyl)-N-(2-amino-2-oxoethyl)-N-(4...) Show SMILES CC(=O)c1ccc(C=CC(=O)N(CC(N)=O)c2ccc(cc2)-c2nc3ccc(cc3n2O)[N+]([O-])=O)cc1 |w:8.8| Show InChI InChI=1S/C26H21N5O6/c1-16(32)18-5-2-17(3-6-18)4-13-25(34)29(15-24(27)33)20-9-7-19(8-10-20)26-28-22-12-11-21(31(36)37)14-23(22)30(26)35/h2-14,35H,15H2,1H3,(H2,27,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>4.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Paratek Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1 ExsA DNA binding activity				Bioorg Med Chem Lett 20: 3380-3 (2010) Article DOI: 10.1016/j.bmcl.2010.04.014 BindingDB Entry DOI: 10.7270/Q20R9PJ2
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